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Home> Encyclopedia > Hot Product Listed 5   > 5H-Thiazolo[3,2-a]pyridin-5-one,3,8-dimethyl-
30511-20-7 structure

5H-Thiazolo[3,2-a]pyridin-5-one,3,8-dimethyl-

Iupac Name:ethyl 2-cyano-2-(2-hydroxy-1,3-dioxoinden-2-yl)acetate
CAS No.:30511-20-7
Molecular Weight:273.244
Molecular Formula:C26H35NO6 (isomer)
Names and Identifiers
Synonyms

5H-Thiazolo(3,2-a)pyridin-5-one, 3,8-dimethyl- NISTC71310151

Inchi
InChI=1S/C14H11NO5/c1-2-20-13(18)10(7-15)14(19)11(16)8-5-3-4-6-9(8)12(14)17/h3-6,10,19H,2H2,1H3
InChkey
XIPOAJOTHUHEMY-UHFFFAOYSA-N
Canonical Smiles
CCOC(=O)C(C#N)C1(C(=O)C2=CC=CC=C2C1=O)O
Isomers Smiles
CCOC(=O)C(C#N)C1(C(=O)C2=CC=CC=C2C1=O)O
Properties
Flash Point
°C
Computational chemical data
  • Molecular Weight:273.244g/mol
  • Molecular Formula:C26H35NO6
  • Compound Is Canonicalized:True
  • Exact Mass:273.064
  • Monoisotopic Mass:273.064
  • Complexity:479
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:6
  • Heavy Atom Count:20
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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